tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate

C12H19NO4 — CID 50941092

IUPACtert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)c1ccco1
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9(6-7-14)10-5-4-8-16-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyNNMNZDXZRLVMJN-VIFPVBQESA-N
MW241.29 g/mol
LogP2.23
Rot. Bonds4

About tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate

tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate (PubChem CID 50941092) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
PubChem CID50941092
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)c1ccco1
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9(6-7-14)10-5-4-8-16-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyNNMNZDXZRLVMJN-VIFPVBQESA-N
XLogP2.23
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
tert-butyl N-[(1S,2R)-3,3-difluoro-1-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 23236676
[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate
CID 144595697
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl N-[(1S)-1-(3,4-dichlorophenyl)-3-hydroxypropyl]carbamate
CID 27281740
tert-butyl 2-[1-(furan-2-yl)propylamino]acetate
CID 81463030
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate
CID 101373628
tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631
tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate
CID 11492885
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
CID 11024352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate (CID 50941092) is tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCO)c1ccco1.
What is the InChIKey of tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate?
The InChIKey is NNMNZDXZRLVMJN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9(6-7-14)10-5-4-8-16-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate?
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate is sourced from PubChem (CID 50941092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).